sodium 4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoate

Systemtic Name: sodium 4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoate Openeye Name: sodium 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoate CAS Name: sodium 4-[2-amino-4-[[di(propan-2-yl)amino]-oxomethyl]-6-nitrophenyl]benzoate IUPAC Name: sodium 4-[2-amino-4-[di(propan-2-yl)carbamoyl]-6-nitrophenyl]benzoate Traditional Name: sodium 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoate Formula: C20H22N3NaO5 MolecularWeight: 407.39555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)[O-])N.[Na+]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H23N3O5.Na/c1-11(2)22(12(3)4)19(24)15-9-16(21)18(17(10-15)23(27)28)13-5-7-14(8-6-13)20(25)26;/h5-12H,21H2,1-4H3,(H,25,26);/q;+1/p-1